Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 2/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4599210 | 0.80 | ALDH1A1 (0.48) | ROCK2NPSR1CES2ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL8805740 | 0.79 | MAPK1 (0.48) | ROCK2NPSR1CES2ALDH1A1MEN1 | |
| SCHEMBL8873146 | 0.76 | ROCK2 (0.36) | ROCK2CES2ALDH1A1MEN1KMT2A | |
| SCHEMBL24664741 | 0.76 | ALDH1A1 (0.65) | NPSR1CES2ALDH1A1KDM4EHPGD | |
| SCHEMBL8873892 | 0.74 | MAPT (0.39) | ROCK2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL7811327 | 0.74 | ALDH1A1 (0.37) | ROCK2NPSR1ALDH1A1MEN1KMT2A | |
| SCHEMBL9719342 | 0.74 | ALOX5 (0.47) | ROCK2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL5667766 | 0.74 | EGFR (0.50) | NPSR1CES2EGFRMEN1KMT2A | |
| SCHEMBL31613810 | 0.74 | EGFR (0.50) | NPSR1CES2EGFRMEN1KMT2A | |
| SCHEMBL8488571 | 0.73 | ALDH1A1 (0.53) | NPSR1ALDH1A1KDM4EHPGDEGFR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992000760-A1 | METHOD OF TREATING NEUROLOGICAL DYSFUNCTION USING NEUROTRANSMITTER ENHANCES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-01-23 | — | — | WO | disclosed |